6-bromanyl-3-[2-[4-(4-ethanoyl-2-fluoranyl-phenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]quinazolin-4-one

Systemtic Name: 6-bromanyl-3-[2-[4-(4-ethanoyl-2-fluoranyl-phenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]quinazolin-4-one Openeye Name: 3-[2-[4-(4-acetyl-2-fluoro-phenyl)piperazin-1-yl]-2-oxo-ethyl]-6-bromo-quinazolin-4-one CAS Name: 3-[2-[4-(4-acetyl-2-fluorophenyl)-1-piperazinyl]-2-oxoethyl]-6-bromo-4-quinazolinone IUPAC Name: 3-[2-[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-6-bromoquinazolin-4-one Traditional Name: 3-[2-[4-(4-acetyl-2-fluoro-phenyl)piperazino]-2-keto-ethyl]-6-bromo-quinazolin-4-one Formula: C22H20BrFN4O3 MolecularWeight: 487.321603

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1)N2CCN(CC2)C(=O)CN3C=NC4=C(C3=O)C=C(C=C4)Br)F

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)N2CCN(CC2)C(=O)CN3C=NC4=C(C3=O)C=C(C=C4)Br)F

InChI

InChI=1S/C22H20BrFN4O3/c1-14(29)15-2-5-20(18(24)10-15)26-6-8-27(9-7-26)21(30)12-28-13-25-19-4-3-16(23)11-17(19)22(28)31/h2-5,10-11,13H,6-9,12H2,1H3